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SOAP potentials

MODELLER includes a number of statistically optimized atomic potentials (SOAP) [Dong et al., 2013]. Individual potentials are optimized for scoring and assessing protein-protein interfaces (soap_pp), loops (soap_loop), protein-peptide interactions (soap_peptide), and protein structures (soap_protein_od).

Subsections

soap_loop.Scorer() -- create a new scorer to evaluate SOAP-Loop energies
soap_peptide.Scorer() -- create a new scorer to evaluate SOAP-Peptide energies
soap_pp.PairScorer() -- create a new scorer to evaluate SOAP-PP pairwise energies
soap_pp.AtomScorer() -- create a new scorer to evaluate SOAP-PP atomistic energies
soap_protein_od.Scorer() -- create a new scorer to evaluate SOAP-Protein-OD energies

Automatic builds 2014-02-11